Crystallography Open Database

Information card for entry 7000317

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Coordinates	7000317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H204 N4 P4
Calculated formula	C164 H204 N4 P4
Title of publication	P,N-Containing cyclophanes with large helical hydrophobic cavities: prospective precursors for the design of a molecular reactor
Authors of publication	Karasik, A. A.; Kulikov, D. V.; Balueva, A. S.; Ignat'eva, S. N.; Kataeva, O. N.; Lönnecke, P.; Kozlov, A. V.; Latypov, S. K.; Hey-Hawkins, E.; Sinyashin, O. G.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	3
Pages of publication	490 - 494
a	15.346 ± 0.001 Å
b	19.317 ± 0.001 Å
c	26.261 ± 0.001 Å
α	80.86 ± 0.01°
β	73.85 ± 0.01°
γ	76.48 ± 0.01°
Cell volume	7233.6 ± 0.8 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179681 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/03.	7000317.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000317.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000317.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000317.cif